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4-Bromobenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester
SpectraBase Compound ID ASXiUyYeXBn
InChI InChI=1S/C18H21BrO2/c1-5-6-14(4)17(12-7-13(2)3)21-18(20)15-8-10-16(19)11-9-15/h8-11,14,17H,2,5-6H2,1,3-4H3
InChIKey LFICOWFBJZFKIS-UHFFFAOYSA-N
Mol Weight 349.27 g/mol
Molecular Formula C18H21BrO2
Exact Mass 348.072493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GuApMb7bEJJ
Name 4-Bromobenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester
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Formula C18H21BrO2
InChI InChI=1S/C18H21BrO2/c1-5-6-14(4)17(12-7-13(2)3)21-18(20)15-8-10-16(19)11-9-15/h8-11,14,17H,2,5-6H2,1,3-4H3
InChIKey LFICOWFBJZFKIS-UHFFFAOYSA-N
Molecular Weight 349.268 g/mol
SMILES c1c(ccc(c1)C(OC(C(CCC)C)C#CC(=C)C)=O)Br
SPLASH splash10-001r-3900000000-cfa87b6fc1b34bc308a2
Source of Spectrum NP-12-6206-0
Synonyms 4-Bromobenzoic acid 2,6-dimethylnon-1-en-3-yn-5-yl ester 2,6-Dimethylnon-1-en-3-yn-5-yl 4-bromobenzoate [4-methyl-1-(1-methylbutyl)pent-4-en-2-ynyl] 4-bromobenzoate 2,6-Dimethylnon-1-en-3-yn-5-yl 4-bromanylbenzoate
Wiley ID 1110446